nimashoghi/matbench_mp_e_form_fold0
收藏Hugging Face2025-03-12 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/nimashoghi/matbench_mp_e_form_fold0
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资源简介：
该数据集包含了原子级别的信息，如原子序数、原子在空间中的位置坐标、是否固定等信息。数据集中的原子位置坐标是三维的浮点数序列。此外，还包括了单元胞信息和周期性边界条件。数据集被划分为训练集、验证集和测试集，分别用于模型训练、验证和测试。总数据量约为138MB，下载大小约为7MB。
The dataset contains atomic-level information such as atomic numbers, atomic positions in space, whether they are fixed, etc. The atomic positions are represented as a sequence of three-dimensional floating-point numbers. In addition, it includes unit cell information and periodic boundary conditions. The dataset is split into training, validation, and test sets, used for model training, validation, and testing respectively. The total dataset size is approximately 138MB, with a download size of about 7MB.
提供机构：
nimashoghi
